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73964-74-6 | 2,5-Thiophenedione,3-acetyldihydro-
CAS No: 73964-74-6 Catalog No: AG005IUU MDL No:
Product Description
Catalog Number:
AG005IUU
Chemical Name:
2,5-Thiophenedione,3-acetyldihydro-
CAS Number:
73964-74-6
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
IUPAC Name:
3-acetylthiolane-2,5-dione
InChI:
InChI=1S/C6H6O3S/c1-3(7)4-2-5(8)10-6(4)9/h4H,2H2,1H3
InChI Key:
SRHTVWXRKYJECO-UHFFFAOYSA-N
SMILES:
O=C1SC(=O)C(C1)C(=O)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.171g/mol
Monoisotopic Mass:
158.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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